7-(cyclohexylmethyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

C18H19F3O3 — CID 58934706

IUPAC7-(cyclohexylmethyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
SMILESO=C(O)C1=Cc2ccc(CC3CCCCC3)cc2OC1C(F)(F)F
InChIInChI=1S/C18H19F3O3/c19-18(20,21)16-14(17(22)23)10-13-7-6-12(9-15(13)24-16)8-11-4-2-1-3-5-11/h6-7,9-11,16H,1-5,8H2,(H,22,23)
InChIKeyZPPJAHAGACBBAI-UHFFFAOYSA-N
MW340.34 g/mol
LogP4.60
Rot. Bonds3

About 7-(cyclohexylmethyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

7-(cyclohexylmethyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid (PubChem CID 58934706) has the molecular formula C18H19F3O3 and a molecular weight of 340.34 g/mol. Its IUPAC name is 7-(cyclohexylmethyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid.

Molecular Properties

Compound Name7-(cyclohexylmethyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
PubChem CID58934706
Molecular FormulaC18H19F3O3
Molecular Weight340.34 g/mol
Exact Mass340.13
IUPAC Name7-(cyclohexylmethyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
SMILESO=C(O)C1=Cc2ccc(CC3CCCCC3)cc2OC1C(F)(F)F
InChIInChI=1S/C18H19F3O3/c19-18(20,21)16-14(17(22)23)10-13-7-6-12(9-15(13)24-16)8-11-4-2-1-3-5-11/h6-7,9-11,16H,1-5,8H2,(H,22,23)
InChIKeyZPPJAHAGACBBAI-UHFFFAOYSA-N
XLogP4.60
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclohexylmethyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The IUPAC name of 7-(cyclohexylmethyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid (CID 58934706) is 7-(cyclohexylmethyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid.
What is the SMILES notation for 7-(cyclohexylmethyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The canonical SMILES for 7-(cyclohexylmethyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid is O=C(O)C1=Cc2ccc(CC3CCCCC3)cc2OC1C(F)(F)F.
What is the InChIKey of 7-(cyclohexylmethyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The InChIKey is ZPPJAHAGACBBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3O3/c19-18(20,21)16-14(17(22)23)10-13-7-6-12(9-15(13)24-16)8-11-4-2-1-3-5-11/h6-7,9-11,16H,1-5,8H2,(H,22,23).
What are the key properties of 7-(cyclohexylmethyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
7-(cyclohexylmethyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid has a molecular weight of 340.34 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclohexylmethyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid is sourced from PubChem (CID 58934706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).